CHEBI:203666 - 7-(1-methyl-2-oxopropyl)streptonigrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-(1-methyl-2-oxopropyl)streptonigrin
ChEBI ID CHEBI:203666
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000095734500
Download Molfile XML SDF
Formula C29H28N4O9
Net Charge 0
Average Mass 576.562
Monoisotopic Mass 576.18563
InChI InChI=1S/C29H28N4O9/c1-11-18(14-8-10-17(40-4)27(41-5)24(14)35)19(30)22(33-20(11)29(38)39)16-9-7-15-21(32-16)26(37)23(28(42-6)25(15)36)31-12(2)13(3)34/h7-10,12,31,35H,30H2,1-6H3,(H,38,39)
InChIKey HYCLTZFHBHQLSE-UHFFFAOYSA-N
SMILES O=C1C(NC(C(=O)C)C)=C(OC)C(=O)C=2C1=NC(C3=NC(=C(C)C(=C3N)C4=C(O)C(OC)=C(OC)C=C4)C(=O)O)=CC2
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
ChEBI Ontology
Outgoing 7-(1-methyl-2-oxopropyl)streptonigrin (CHEBI:203666) is a bipyridines (CHEBI:50511)
IUPAC Name
5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-[6-methoxy-5,8-dioxo-7-(3-oxobutan-2-ylamino)quinolin-2-yl]-3-methylpyridine-2-carboxylic acid
Manual Xref Database
10282224 ChemSpider
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